[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol

C19H31NO — CID 63476984

IUPAC[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-15-6-5-11-19(12-15,14-21)20-13-16-7-9-17(10-8-16)18(2,3)4/h7-10,15,20-21H,5-6,11-14H2,1-4H3
InChIKeyHBEYVCRBSXAHLM-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.01
Rot. Bonds4

About [1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol

[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol (PubChem CID 63476984) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
PubChem CID63476984
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-15-6-5-11-19(12-15,14-21)20-13-16-7-9-17(10-8-16)18(2,3)4/h7-10,15,20-21H,5-6,11-14H2,1-4H3
InChIKeyHBEYVCRBSXAHLM-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol (CID 63476984) is [1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of [1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol?
The InChIKey is HBEYVCRBSXAHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15-6-5-11-19(12-15,14-21)20-13-16-7-9-17(10-8-16)18(2,3)4/h7-10,15,20-21H,5-6,11-14H2,1-4H3.
What are the key properties of [1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol?
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol has a molecular weight of 289.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 63476984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).